N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide

C17H25NO5 — CID 171147067

IUPACN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)C=Cc1ccco1
InChIInChI=1S/C17H25NO5/c1-12(2)8-18(9-13-10-22-11-15(19)17(13)21)16(20)6-5-14-4-3-7-23-14/h3-7,12-13,15,17,19,21H,8-11H2,1-2H3/t13-,15-,17+/m1/s1
InChIKeyBROJXJBUSBTXGR-UNEWFSDZSA-N
MW323.39 g/mol
LogP1.15
Rot. Bonds6

About N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide

N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 171147067) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID171147067
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC NameN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)C=Cc1ccco1
InChIInChI=1S/C17H25NO5/c1-12(2)8-18(9-13-10-22-11-15(19)17(13)21)16(20)6-5-14-4-3-7-23-14/h3-7,12-13,15,17,19,21H,8-11H2,1-2H3/t13-,15-,17+/m1/s1
InChIKeyBROJXJBUSBTXGR-UNEWFSDZSA-N
XLogP1.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 155996619
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82326317
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 171147056
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544
(E)-N-(cyclopropylmethyl)-3-(furan-2-yl)-N-prop-2-ynylprop-2-enamide
CID 115532594
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 72687598
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide (CID 171147067) is N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide is CC(C)CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)C=Cc1ccco1.
What is the InChIKey of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is BROJXJBUSBTXGR-UNEWFSDZSA-N. The full InChI is InChI=1S/C17H25NO5/c1-12(2)8-18(9-13-10-22-11-15(19)17(13)21)16(20)6-5-14-4-3-7-23-14/h3-7,12-13,15,17,19,21H,8-11H2,1-2H3/t13-,15-,17+/m1/s1.
What are the key properties of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide?
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 323.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 171147067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).